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fix(xc): use total charge in cal_gdr_sf and add gga_grad unit tests #1013

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fix(xc): use total charge in cal_gdr_sf and add gga_grad unit tests

fix(xc): use total charge in cal_gdr_sf and add gga_grad unit tests #1013

Run time

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Job Run time
Build without LCAO and MPI
4m 23s
Build with CUDA support
13m 10s
Build with GNU toolchain
7m 57s
Build with Intel toolchain
9m 27s
Build without ELPA
7m 58s
Build without MPI
6m 37s
Build extra components with GNU toolchain
17m 8s
Build without LCAO
5m 38s
Build extra components with Intel toolchain
16m 37s
1h 28m 55s